SCHEMBL654651

SCHEMBL654651

Cc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.62
KCNH2 Q12809 4/20 0.56
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
DHFR P00374 2/20 0.50
C1S P09871 1/20 0.48
NOTUM Q6P988 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PHGDH O43175 1/20 0.46
HTR7 P34969 1/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11103700 0.86 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL10373770 0.86 ADRB1 (0.74) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL8264176 0.82 ADRB1 (0.69) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL12991 0.82 ADRB1 (0.69) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL3307690 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL27827352 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL17281442 0.80 ADRB1 (0.67) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL11096302 0.80 KCNH2 (0.73) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL6588911 0.79 MAPT (0.45) ADRB1MAPTALDH1A1RAB9ANOTUM
SCHEMBL1111778 0.79 PHGDH (0.48) ADRB1MAPTALDH1A1RAB9APHGDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US claimed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP claimed
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-02-22 US claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO claimed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
EP-1620399-A1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-02-01 EP claimed
WO-2004087658-A1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2004-10-14 WO claimed
EP-0343708-A2 Avermectin derivatives MERCK & CO. INC. (US) 1989-11-29 EP claimed
US-4377521-A ANTILIPEMIC PFIZER INC. (US) 1983-03-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ADRB1 1348/4885KCNH2 1101/4885MAPT 4643/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 ADRB1 977/4885KCNH2 2212/4885MAPT 4213/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 ADRB1 1664/4885KCNH2 2779/4885MAPT 4850/4885
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses AANAT, TPH2, CYP1A2 ADRB1 604/4885KCNH2 349/4885MAPT 387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.